methyl-(phenylmethyl)-[(3S)-1-(2-phenylsulfanylethanoyl)piperidin-3-yl]azanium

Systemtic Name: methyl-(phenylmethyl)-[(3S)-1-(2-phenylsulfanylethanoyl)piperidin-3-yl]azanium Openeye Name: benzyl-methyl-[(3S)-1-(2-phenylsulfanylacetyl)-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-[1-oxo-2-(phenylthio)ethyl]-3-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(3S)-1-(2-phenylsulfanylacetyl)piperidin-3-yl]azanium Traditional Name: benzyl-methyl-[(3S)-1-[2-(phenylthio)acetyl]-3-piperidyl]ammonium Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H26N2OS/c1-22(15-18-9-4-2-5-10-18)19-11-8-14-23(16-19)21(24)17-25-20-12-6-3-7-13-20/h2-7,9-10,12-13,19H,8,11,14-17H2,1H3/p+1/t19-/m0/s1